TL;DR: Ammonium, diethylmethyl(((10-phenothiazinyl)carbonyl)methyl)-, iodide (CAS 98964-14-8) is a chemical compound with molecular formula C19H23IN2OS and molecular weight 454.0576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-methyl-(2-oxo-2-phenothiazin-10-ylethyl)azanium iodide
Also Known As: Methyl ammonium iodide, Diethylmethyl(((10-phenothiazinyl)carbonyl)methyl)ammonium iodide, AMMONIUM, DIETHYLMETHYL(((10-PHENOTHIAZINYL)CARBONYL)METHYL)-, IODIDE, diethyl-methyl-(2-oxo-2-phenothiazin-10-ylethyl)azanium iodide, N,N-Diethyl-N-methyl-2-oxo-2-(10H-phenothiazin-10-yl)ethan-1-aminium iodide
| Molecular Formula | C19H23IN2OS |
| Molecular Weight | 454.0576 g/mol |
| XLogP | 1.31 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.0576 Da |
| Heavy Atoms | 24 |
| Complexity | 402.0 |
| SMILES | CC[N+](C)(CC)CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.[I-] |
| InChIKey | JAMQUWWUPLLCBV-UHFFFAOYSA-M |
The XLogP value of 1.31 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, diethylmethyl(((10-phenothiazinyl)carbonyl)methyl)-, iodide. With a topological polar surface area (TPSA) of 45.6 Ų, Ammonium, diethylmethyl(((10-phenothiazinyl)carbonyl)methyl)-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, diethylmethyl(((10-phenothiazinyl)carbonyl)methyl)-, iodide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, diethylmethyl(((10-phenothiazinyl)carbonyl)methyl)-, iodide is 98964-14-8.
The molecular formula of Ammonium, diethylmethyl(((10-phenothiazinyl)carbonyl)methyl)-, iodide is C19H23IN2OS.
The molecular weight of Ammonium, diethylmethyl(((10-phenothiazinyl)carbonyl)methyl)-, iodide is 454.0576 g/mol.
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